BioLiP

PDB

BioLiP

PDB CCD ID:

BSO

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O4 S

InChI:

InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1

InChIKey:

KCSKCIQYNAOBNQ-OKPRWBIXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C2C(C(S1=O)CCCCC(=O)O)NC(=O)N2
CACTVS 3.341	OC(=O)CCCC[CH]1[CH]2NC(=O)N[CH]2C[S]1=O
ACDLabs 10.04	O=S2CC1NC(=O)NC1C2CCCCC(=O)O
OpenEye OEToolkits 1.5.0	C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2
CACTVS 3.341	OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@]1=O

Name:

BIOTIN-D-SULFOXIDE;
5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID

ZINC:

ZINC000005192442

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).